[2-(4-ethoxycarbonylpiperidin-1-yl)-8-methyl-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-8-methyl-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-8-methyl-quinolin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperidinyl)-8-methyl-3-quinolin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-8-methylquinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-carbethoxypiperidino)-8-methyl-quinolin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C24H31N3O2S+2 MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)C)C[NH2+]CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)C)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C24H29N3O2S/c1-3-29-24(28)18-9-11-27(12-10-18)23-20(15-25-16-21-8-5-13-30-21)14-19-7-4-6-17(2)22(19)26-23/h4-8,13-14,18,25H,3,9-12,15-16H2,1-2H3/p+2